Diamocaine

Diamocaine
Identifiers
	IUPAC name N-[2-[4-[2-(diethylamino)ethoxy]-4-phenylpiperidin-1-yl]ethyl]aniline;
CAS Number	27112-37-4 ;
PubChem CID	31932;
ChemSpider	29611;
UNII	I3I4XCR66J;
ChEMBL	ChEMBL2110911;
CompTox Dashboard (EPA)	DTXSID30181573 ;
Chemical and physical data
Formula	C25H37N3O
Molar mass	395.591 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES CCN(CC)CCOC1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3;
	InChI InChI=1S/C25H37N3O/c1-3-27(4-2)21-22-29-25(23-11-7-5-8-12-23)15-18-28(19-16-25)20-17-26-24-13-9-6-10-14-24/h5-14,26H,3-4,15-22H2,1-2H3; Key:JSELIWGNAHBPAE-UHFFFAOYSA-N;

Diamocaine is a local anesthetic that was developed by Janssen Pharmaceuticals in the 1970s. It is a 4-phenylpiperidine derivative, structurally related to opioid drugs such as piminodine and antipsychotics such as haloperidol, but in this series only local anesthetics were produced.^[1]

References edit

^ Hermans B, Verhoeven H, Janssen P (September 1970). "4-substituted piperidines. V. Local anesthetic 4-aminoalkoxy-4-arylpiperidines". Journal of Medicinal Chemistry. 13 (5): 835–8. doi:10.1021/jm00299a009. PMID 5458366.

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Identifiers

IUPAC name N-[2-[4-[2-(diethylamino)ethoxy]-4-phenylpiperidin-1-yl]ethyl]aniline
CAS Number	27112-37-4^Y
PubChem CID	31932
ChemSpider	29611
UNII	I3I4XCR66J
ChEMBL	ChEMBL2110911
CompTox Dashboard (EPA)	DTXSID30181573
Chemical and physical data
Formula	C₂₅H₃₇N₃O
Molar mass	395.591 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES CCN(CC)CCOC1(CCN(CC1)CCNC2=CC=CC=C2)C3=CC=CC=C3
InChI InChI=1S/C25H37N3O/c1-3-27(4-2)21-22-29-25(23-11-7-5-8-12-23)15-18-28(19-16-25)20-17-26-24-13-9-6-10-14-24/h5-14,26H,3-4,15-22H2,1-2H3 Key:JSELIWGNAHBPAE-UHFFFAOYSA-N